Sökning: "Juan Viguera Diez"

Hittade 1 avhandling innehållade orden Juan Viguera Diez.

1. 1. Sampling from molecular unnormalized distributions with Deep Generative Models

   Författare :Juan Viguera Diez; Chalmers tekniska högskola; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; machine learning; Cheminformatics; conformational sampling; generative models; drug discovery; Boltzmann generators;

   Sammanfattning : This thesis investigates how Deep Generative Models (DGMs) can address important drug discovery problems involving sampling from unnormalized distributions. It consists of two papers focusing on this challenge’s aspects: molecular design and conformational sampling. LÄS MER